2,2,2-trifluoro-N-(4-hydrazinylphenyl)acetamide hydrochloride

• ChemBase编号: 97813
• 分子式: C8H9ClF3N3O
• 平均质量: 255.6247696
• 单一同位素质量: 255.03862426
• SMILES: N(c1ccc(cc1)NN)C(=O)C(F)(F)F.Cl
• Canonical SMILES: NNc1ccc(cc1)NC(=O)C(F)(F)F.Cl
• InChI: InChI=1S/C8H8F3N3O.ClH/c9-8(10,11)7(15)13-5-1-3-6(14-12)4-2-5;/h1-4,14H,12H2,(H,13,15);1H
• InChIKey: YUJNNGXWRHANHW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,2-trifluoro-N-(4-hydrazinylphenyl)acetamide hydrochloride
• IUPAC传统名: 2,2,2-trifluoro-N-(4-hydrazinylphenyl)acetamide hydrochloride
• 别名: N-(4-Hydrazinophenyl)-2,2,2-trifluoroacetamide hydrochloride; 4-[(Trifluoroacetyl)amino]phenylhydrazine hydrochloride; 4-Hydrazino-N-(trifluoroacetyl)aniline hydrochloride

登记号

• PubChem SID: 162104986
• PubChem CID: 71300086

理论计算性质

• Acid pKa: 11.3765
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 1.5260564
• LogD (pH = 7.4): 1.7315176
• Log P: 1.7349274
• 摩尔折射率: 51.6379 cm^3
• 极化性: 17.256992 Å^3
• 极化表面积: 67.15 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Harmful/Irritant/Store under Argon